chempirical

Nirmatrelvir

C23H32F3N5O4CAS 2628280-40-8499.54 g/mol

Open in Covalent MOL file
NOHNOFFFONHNHON
Alkyl halideAmideLactamNitrile

Properties

Molecular formula
C23H32F3N5O4
Molar mass
499.54 g/mol
Exact mass
499.2406 Da
logP
1.10Crippen estimate
Polar surface area
131.4 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
S, R, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2628280-40-8
SMILES
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C
InChIKey
LIENCHBZNNMNKG-OJFNHCPVSA-N
InChI
InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Pf-07321332

Work with Nirmatrelvir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-2-Amino-3-((S)-2-oxopyrrolidin-3-yl)propanenitrile hydrochloride2755950-35-532 % similar (S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid666832-71-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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